Chemical ID: 5511947

c1ccc(cc1)c2csc3c2c(=O)[nH]c(n3)SCC(=O)Nc4ccccc4C#N
Chemical ID:
5511947
Name [?]:
N-(2-cyanophenyl)-2-[(5-oxo-7-phenyl-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-3-yl)sulfanyl]acetamide
SMILES [?]:
c1ccc(cc1)c2csc3c2c(=O)[nH]c(n3)SCC(=O)Nc4ccccc4C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H14N4O2S2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.3412
Area:632.415
Solvation:-3.46918
Coulombic:-52.6567
Bond Count [?]
All:32
Single:20
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:418.494
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.28
LogP (Chemaxon):4.54

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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